N-(1-iodoethyl)methanesulfonamide

C3H8INO2S — CID 130380275

IUPACN-(1-iodoethyl)methanesulfonamide
SMILESCC(I)NS(C)(=O)=O
InChIInChI=1S/C3H8INO2S/c1-3(4)5-8(2,6)7/h3,5H,1-2H3
InChIKeyWFRUEHYURPDUOZ-UHFFFAOYSA-N
MW249.07 g/mol
LogP0.32
Rot. Bonds2

About N-(1-iodoethyl)methanesulfonamide

N-(1-iodoethyl)methanesulfonamide (PubChem CID 130380275) has the molecular formula C3H8INO2S and a molecular weight of 249.07 g/mol. Its IUPAC name is N-(1-iodoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-iodoethyl)methanesulfonamide
PubChem CID130380275
Molecular FormulaC3H8INO2S
Molecular Weight249.07 g/mol
Exact Mass248.93
IUPAC NameN-(1-iodoethyl)methanesulfonamide
SMILESCC(I)NS(C)(=O)=O
InChIInChI=1S/C3H8INO2S/c1-3(4)5-8(2,6)7/h3,5H,1-2H3
InChIKeyWFRUEHYURPDUOZ-UHFFFAOYSA-N
XLogP0.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-iodoethyl)methanesulfonamide?
The IUPAC name of N-(1-iodoethyl)methanesulfonamide (CID 130380275) is N-(1-iodoethyl)methanesulfonamide.
What is the SMILES notation for N-(1-iodoethyl)methanesulfonamide?
The canonical SMILES for N-(1-iodoethyl)methanesulfonamide is CC(I)NS(C)(=O)=O.
What is the InChIKey of N-(1-iodoethyl)methanesulfonamide?
The InChIKey is WFRUEHYURPDUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8INO2S/c1-3(4)5-8(2,6)7/h3,5H,1-2H3.
What are the key properties of N-(1-iodoethyl)methanesulfonamide?
N-(1-iodoethyl)methanesulfonamide has a molecular weight of 249.07 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodoethyl)methanesulfonamide is sourced from PubChem (CID 130380275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).